Information card for entry 7016177

Structure parameters

• Common name: 1505 (Cu2(SPN-iPr)2(CN-tBu)2)(SbF6)2.2(Et2O) at 100K
• Formula: C40 H76 Cu2 F12 N6 O2 P2 S2 Sb2
• Calculated formula: C40 H76 Cu2 F12 N6 O2 P2 S2 Sb2
• SMILES: c12cccc[n]1[Cu]1([S](=P(C(C)C)(C(C)C)N2)[Cu]2([n]3c(cccc3)NP(C(C)C)(C(C)C)=[S]12)C#[N]C(C)(C)C)C#[N]C(C)(C)C.[F-][Sb](F)(F)(F)(F)F.O(CC)CC.[F-][Sb](F)(F)(F)(F)F.O(CC)CC
• Title of publication: Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.
• Authors of publication: Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 7008 - 7021
• a: 13.3328 ± 0.0005 Å
• b: 14.0819 ± 0.0006 Å
• c: 16.078 ± 0.0007 Å
• α: 90°
• β: 101.539 ± 0.002°
• γ: 90°
• Cell volume: 2957.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No